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1
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85037205070
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A. Abragam, The Principles of Nuclear Magnetism (Oxford University Press, Oxford, 1960);, C.P. Slichter, Principles of Magnetic Resonance, 3rd ed. (Springer-Verlag, Berlin, 1990)
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A. Abragam, The Principles of Nuclear Magnetism (Oxford University Press, Oxford, 1960);C.P. Slichter, Principles of Magnetic Resonance, 3rd ed. (Springer-Verlag, Berlin, 1990).
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8
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0037504853
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A. Boucekkine, G. Boucekkine-Yaker, M. Nait Achour, and G. Berthier, J. Mol. Struct.: THEOCHEM 166, 109 (1988).
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(1988)
J. Mol. Struct.: THEOCHEM
, vol.166
, pp. 109
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-
Boucekkine, A.1
Boucekkine-Yaker, G.2
Nait Achour, M.3
Berthier, G.4
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13
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-
85037190025
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-
Atomic units based on the SI system are used throughout the paper
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Atomic units based on the SI system are used throughout the paper.
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-
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14
-
-
85037187242
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-
The subscripts 0 denote the fact that the derivatives are taken at vanishing values of all perturbations
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The subscripts 0 denote the fact that the derivatives are taken at vanishing values of all perturbations.
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-
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15
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-
85037207685
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R. McWeeny, Methods of Molecular Quantum Mechanics, 2nd ed. (Academic, London, 1992);, R.E. Moss, Advanced Molecular Quantum Mechanics (Chapman and Hall, London, 1973);, J.E. Harriman, Theoretical Foundations of Electron Spin Resonance, (Academic, New York, 1978)
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R. McWeeny, Methods of Molecular Quantum Mechanics, 2nd ed. (Academic, London, 1992);R.E. Moss, Advanced Molecular Quantum Mechanics (Chapman and Hall, London, 1973);J.E. Harriman, Theoretical Foundations of Electron Spin Resonance, (Academic, New York, 1978).
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16
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-
85037239123
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-
The symbol (Formula presented) denotes a sum of all the 3! permutations of indices a b, and c
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The symbol (Formula presented) denotes a sum of all the 3! permutations of indices a, b, and c.
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17
-
-
85037223380
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These expressions correspond to the vector potentials of the external magnetic field and pointlike nuclear magnetic dipole moment as (Formula presented) and (Formula presented) respectively
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These expressions correspond to the vector potentials of the external magnetic field and pointlike nuclear magnetic dipole moment as (Formula presented) and (Formula presented) respectively.
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-
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18
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-
36549100225
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Modern Electronic Structure Theory, Part II, edited by D.R. Yarkony (World Scientific, Singapore, 1995), p. 857;
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J. Olsen and P. Jørgensen, J. Chem. Phys. 82, 3235 (1985);Modern Electronic Structure Theory, Part II, edited by D.R. Yarkony (World Scientific, Singapore, 1995), p. 857;
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(1985)
J. Chem. Phys.
, vol.82
, pp. 3235
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Olsen, J.1
Jørgensen, P.2
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19
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0036904361
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P. Sałek, O. Vahtras, T. Helgaker, and H. Ågren, J. Chem. Phys. 117, 9630 (2002).
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(2002)
J. Chem. Phys.
, vol.117
, pp. 9630
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-
Sałek, P.1
Vahtras, O.2
Helgaker, T.3
Ågren, H.4
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20
-
-
85037209946
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-
P.W. Atkins and R.S. Friedman, Molecular Quantum Mechanics, 3rd ed. (Oxford University Press, Oxford, 1997)
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P.W. Atkins and R.S. Friedman, Molecular Quantum Mechanics, 3rd ed. (Oxford University Press, Oxford, 1997).
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21
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-
85037254384
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The (Formula presented)-coordinate files are available upon request
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The (Formula presented)-coordinate files are available upon request.
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-
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22
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85037244713
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TURBOMOLE, program package for ab initio electronic structure calculations, Release 5.5 (2002), written by R. Ahlrichs et al
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TURBOMOLE, program package for ab initio electronic structure calculations, Release 5.5 (2002), written by R. Ahlrichs et al.
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-
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24
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33751157732
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P.J. Stephens, F.J. Devlin, C.F. Chabalowski, and M.J. Frisch, J. Phys. Chem. 98, 11 623 (1994).
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(1994)
J. Phys. Chem.
, vol.98
, pp. 11 623
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-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
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25
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-
85037249821
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-
DALTON, a molecular electronic structure program, Release 2.0 (2003), written by T. Helgaker et al
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DALTON, a molecular electronic structure program, Release 2.0 (2003), written by T. Helgaker et al.
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27
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0009149697
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K. Ruud, T. Helgaker, R. Kobayashi, P. Jørgensen, K.L. Bak, and H.J.Aa. Jensen, J. Chem. Phys. 100, 8178 (1994).
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(1994)
J. Chem. Phys.
, vol.100
, pp. 8178
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-
Ruud, K.1
Helgaker, T.2
Kobayashi, R.3
Jørgensen, P.4
Bak, K.L.5
Jensen, H.J.A.6
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29
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-
85037208098
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S. Huzinaga, Approximate Atomic Functions (University of Alberta, Edmonton, 1971);, W. Kutzelnigg, U. Fleischer, and M. Schindler, in NMR Basic Principles and Progress, edited by P. Diehl, E. Fluck, H. Günther, R. Kosfeld, and J. Seelig (Springer, Berlin, 1990), Vol. 23
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S. Huzinaga, Approximate Atomic Functions (University of Alberta, Edmonton, 1971);W. Kutzelnigg, U. Fleischer, and M. Schindler, in NMR Basic Principles and Progress, edited by P. Diehl, E. Fluck, H. Günther, R. Kosfeld, and J. Seelig (Springer, Berlin, 1990), Vol. 23.
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30
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85037234252
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K. Fægri, Jr. (private communication). See also http://folk.uio.no/knutf/bases/one
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K. Fægri, Jr. (private communication). See also http://folk.uio.no/knutf/bases/one.
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32
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0000183292
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R. Bramley, M. Brorson, A.M. Sargeson, and C.E. Schäffer, J. Am. Chem. Soc. 107, 2780 (1985).
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 2780
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Bramley, R.1
Brorson, M.2
Sargeson, A.M.3
Schäffer, C.E.4
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35
-
-
85037252521
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the notation of Ref. 8, (Formula presented) corresponding to the (Formula presented) value given here for the molecular case
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In the notation of Ref. 8, (Formula presented) corresponding to the (Formula presented) value given here for the molecular case.
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|